1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Openeye Name: 1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine CAS Name: 1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Traditional Name: 1-(3-bromophenyl)sulfonyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine Formula: C19H21BrN2O6S2 MolecularWeight: 517.41384

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br)OC1

InChI

InChI=1S/C19H21BrN2O6S2/c20-15-3-1-4-16(13-15)29(23,24)21-7-9-22(10-8-21)30(25,26)17-5-6-18-19(14-17)28-12-2-11-27-18/h1,3-6,13-14H,2,7-12H2